Crystallography Open Database

Information card for entry 7704966

Preview

Coordinates	7704966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H85 Ba N3 O Si2
Calculated formula	C57 H85 Ba N3 O Si2
Title of publication	A versatile nitrogen ligand for alkaline-earth chemistry.
Authors of publication	Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11878 - 11889
a	13.0352 ± 0.0006 Å
b	23.0649 ± 0.0012 Å
c	19.3728 ± 0.0012 Å
α	90°
β	102.726 ± 0.002°
γ	90°
Cell volume	5681.5 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256118 (current)	2020-09-06	cif/ Updating files of 7704966, 7704967, 7704968, 7704969, 7704970, 7704971, 7704972, 7704973, 7704974, 7704975 Original log message: Adding full bibliography for 7704966--7704975.cif.	7704966.cif
254694	2020-07-31	cif/ Adding structures of 7704966, 7704967, 7704968, 7704969, 7704970, 7704971, 7704972, 7704973, 7704974, 7704975 via cif-deposit CGI script.	7704966.cif